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Record Count: 438090
Id Cidd Fcv Redu Stoi Heat Of Formation Dipole Homo Lumo Charge
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3697 10020 1 N2C3O3H6 A2B3C3D6 -133.39 6.42 -10.4 0.04 0
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3698 10021 1 FO2C11H21 AB2C11D21 -182.99 3.33 -10.67 0.91 0
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3699 10027 1 FC8H17 AB8C17 -90.14 1.8 -10.98 3.28 0
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3700 10028 1 NO2H3C8 AB2C3D8 75.89 2.34 -10.83 -1.84 0
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3701 10029 1 FC9H19 AB9C19 -93.67 1.7 -10.93 3.27 0
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3702 10031 1 ClFC9H18 ABC9D18 -102.92 1.6 -10.59 0.89 0
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3703 10034 1 FO2C19H37 AB2C19D37 -218.54 3.61 -10.84 0.84 0
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3704 10035 1 FNOC9H16 ABCD9E16 -90.54 4.37 -9.97 1.27 0
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3705 10036 1 F2O4C9H18 A2B4C9D18 -281.5 2.02 -10.02 1.41 0
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3706 10039 1 COS ABC -25.67 0.5 -10.39 -0.58 0
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3707 10040 1 CSCl2 ABC2 25.03 0.01 -9.71 -1.84 0
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3708 10041 1 C5H12 A5B12 -35.02 0.0 -11.34 4.43 0
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3709 10042 1 NOC5H13 ABC5D13 -8.22 4.0 -7.5 0.43 0
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3710 10043 1 NC5H12 AB5C12 43.25 0.42 0.0 0.0 1
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3711 10045 1 OC6H14 AB6C14 -82.25 2.16 -10.16 2.95 0
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3712 10046 1 CNO2Br3 ABC2D3 -7.04 2.69 -11.18 -2.2 0
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3713 10048 1 ClC10H17 AB10C17 -39.81 2.32 -10.13 1.21 0
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3714 10051 2 O3C12H16 A3B12C16 -269.41 8.59 -9.62 -0.92 0
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3715 10053 1 O5C24H34 A5B24C34 -244.21 5.92 -9.75 -0.99 0
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3716 10054 1 O5C23H34 A5B23C34 -254.83 6.69 -10.05 -0.67 0
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3717 10055 2 O5C16H24 A5B16C24 -482.79 8.42 -9.81 -0.41 0
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3718 10063 4 OC6H8 AB6C8 -167.58 5.8 -9.4 -0.65 0
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3719 10064 1 NO4C19H21 AB4C19D21 -100.25 6.15 -8.6 0.0 0
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3720 10066 2 Cl3H4C6 A3B4C6 34.54 3.73 -9.67 -0.64 0
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3721 10067 1 NO10C34H53 AB10C34D53 -534.56 9.58 -8.64 0.47 0
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3722 10068 2 O3C12H16 A3B12C16 -266.27 3.56 -9.74 -0.96 0
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3723 10070 2 O4C15H23 A4B15C23 -388.45 5.69 -9.96 -0.56 0
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3724 10072 1 NOC21H27 ABC21D27 -0.4 3.58 -8.79 0.1 0
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3725 10073 2 NOC11H15 ABC11D15 -78.98 3.13 -8.33 0.04 0
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3726 10074 1 NO3C16H19 AB3C16D19 -83.91 3.42 -9.02 -0.12 0
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3727 10076 1 NO3C16H17 AB3C16D17 -59.81 3.15 -8.63 0.01 0
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3728 10077 1 NO3C17H19 AB3C17D19 -93.33 5.29 -8.57 -0.04 0
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3729 10078 1 NO3C17H19 AB3C17D19 -67.67 1.66 -8.38 0.09 0
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3731 10081 1 SN2O2C13H16 AB2C2D13E16 -39.57 4.36 -9.97 -1.0 0
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3732 10082 2 NOSC6H10 ABCD6E10 -84.34 4.21 -8.69 -1.12 0
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3733 10083 1 NOC18H21 ABC18D21 -5.27 2.76 -9.2 0.18 0
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3734 10086 1 NO3C20H29 AB3C20D29 -135.81 1.51 -8.83 0.1 0
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3735 10088 1 O5C35H52 A5B35C52 -282.03 4.01 -9.35 0.03 0
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3736 10089 1 NO2C23H29 AB2C23D29 -40.73 4.52 -8.71 -0.04 0
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3737 10090 1 NOC20H25 ABC20D25 0.85 3.78 -8.61 0.01 0
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3738 10091 1 O9C31H46 A9B31C46 -418.67 6.65 -9.56 -0.82 0
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3739 10092 1 O6C23H32 A6B23C32 -275.69 4.55 -9.96 -0.83 0
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3740 10094 1 O5C23H34 A5B23C34 -249.73 4.01 -10.12 -0.51 0
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3741 10096 1 NO4C24H39 AB4C24D39 -217.14 3.06 -8.73 -0.09 0
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3742 10097 1 ClO6C17H17 AB6C17D17 -205.84 4.14 -8.86 -0.52 0
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3743 10099 3 C5H8 A5B8 -33.75 0.3 -8.92 1.64 0
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3744 10100 1 NO2C22H29 AB2C22D29 -61.67 2.47 -8.61 0.2 0
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3745 10101 1 NO2C15H21 AB2C15D21 -76.73 3.28 -8.76 -0.11 0
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3746 10105 1 O3C10H20 A3B10C20 -166.69 1.59 -9.66 1.55 0
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3747 10106 1 OC10H18 AB10C18 -72.14 1.52 -9.68 2.73 0